methyl-[(2R)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(2R)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(1R)-1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: methyl-[(2R)-1-[2-(methylthio)anilino]-1-oxopropan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(2R)-1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]azanium Traditional Name: benzyl-[(1R)-2-keto-1-methyl-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C18H23N2OS+ MolecularWeight: 315.45302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1SC)[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C18H22N2OS/c1-14(20(2)13-15-9-5-4-6-10-15)18(21)19-16-11-7-8-12-17(16)22-3/h4-12,14H,13H2,1-3H3,(H,19,21)/p+1/t14-/m1/s1